2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile

C19H13N3O — CID 5260621

IUPAC2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc3ccccc3cc2C1c1cccnc1
InChIInChI=1S/C19H13N3O/c20-10-16-18(14-6-3-7-22-11-14)15-8-12-4-1-2-5-13(12)9-17(15)23-19(16)21/h1-9,11,18H,21H2
InChIKeyIGDAHWBHOGLRHU-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.45
Rot. Bonds1

About 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile

2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile (PubChem CID 5260621) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile
PubChem CID5260621
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc3ccccc3cc2C1c1cccnc1
InChIInChI=1S/C19H13N3O/c20-10-16-18(14-6-3-7-22-11-14)15-8-12-4-1-2-5-13(12)9-17(15)23-19(16)21/h1-9,11,18H,21H2
InChIKeyIGDAHWBHOGLRHU-UHFFFAOYSA-N
XLogP3.45
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile (CID 5260621) is 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile is N#CC1=C(N)Oc2cc3ccccc3cc2C1c1cccnc1.
What is the InChIKey of 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile?
The InChIKey is IGDAHWBHOGLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c20-10-16-18(14-6-3-7-22-11-14)15-8-12-4-1-2-5-13(12)9-17(15)23-19(16)21/h1-9,11,18H,21H2.
What are the key properties of 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile?
2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile is sourced from PubChem (CID 5260621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).